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Information card for entry 2240783
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| Coordinates | 2240783.cif |
|---|---|
| Structure factors | 2240783.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>N</i>-Carbamothioyl-2-methylbenzamide |
|---|---|
| Formula | C9 H10 N2 O S |
| Calculated formula | C9 H10 N2 O S |
| SMILES | S=C(NC(=O)c1c(cccc1)C)N |
| Title of publication | Crystal structure of <i>N</i>-carbamothioyl-2-methylbenzamide |
| Authors of publication | Adam, Farook; Ameram, Nadiah; Tan, Wai Mun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| Pages of publication | o425 |
| a | 22.7886 ± 0.0012 Å |
| b | 7.1133 ± 0.0003 Å |
| c | 25.5388 ± 0.0013 Å |
| α | 90° |
| β | 113.664 ± 0.003° |
| γ | 90° |
| Cell volume | 3791.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.054 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.103 |
| Weighted residual factors for all reflections included in the refinement | 0.11 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181907 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07 |
2240783.cif 2240783.hkl |
| 137442 | 2015-05-28 | cif/ hkl/ Adding structures of 2240783 via cif-deposit CGI script. |
2240783.cif 2240783.hkl |
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Users of the data should acknowledge the original authors of the
structural data.